N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide

C20H22N6O3 — CID 46467529

IUPACN-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C20H22N6O3/c1-12-3-6-14(23-19(28)13-4-5-13)9-16(12)24-17(27)7-8-26-11-21-18-15(20(26)29)10-22-25(18)2/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyPIDHFMIFWPUWNH-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.82
Rot. Bonds6

About N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide

N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide (PubChem CID 46467529) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
PubChem CID46467529
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(NC(=O)C2CC2)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C20H22N6O3/c1-12-3-6-14(23-19(28)13-4-5-13)9-16(12)24-17(27)7-8-26-11-21-18-15(20(26)29)10-22-25(18)2/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyPIDHFMIFWPUWNH-UHFFFAOYSA-N
XLogP1.82
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590379
N-[4-methyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 87001216
N-(3-acetamidophenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16590618
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
CID 17492925
N-(4-acetylphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 25399169
N-(4-cyclopentyloxyphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 46570096
N-(3-chloro-4-methylphenyl)-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17416732
N-[3-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]-4-methylphenyl]cyclopropanecarboxamide
CID 55711571
N-[2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide
CID 33147932
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
N-[4-(diethylsulfamoyl)phenyl]-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 43038624
methyl 4,5-dimethoxy-2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide (CID 46467529) is N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide is Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CCn1cnc2c(cnn2C)c1=O.
What is the InChIKey of N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is PIDHFMIFWPUWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-12-3-6-14(23-19(28)13-4-5-13)9-16(12)24-17(27)7-8-26-11-21-18-15(20(26)29)10-22-25(18)2/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide?
N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46467529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).